# Search results of SQL query from the Crystallography Open Database
# Date and time performed: 2026-02-14T04:08:12+01:00
# Query:
# SELECT data.*
# FROM
#  data JOIN jaltnames
#  ON altname = journal
# WHERE
#  (status is null or status != 'retracted') and
#  (journal_id IN (SELECT DISTINCT(journal_id) FROM jaltnames WHERE altname LIKE 'Journal of Chemical Physics') AND volume = 46 AND duplicateof IS NULL AND (status is NULL OR status != 'errors') AND (method is NULL OR method != 'theoretical'))
# ORDER BY file asc
file,a,siga,b,sigb,c,sigc,alpha,sigalpha,beta,sigbeta,gamma,siggamma,vol,sigvol,celltemp,sigcelltemp,diffrtemp,sigdiffrtemp,cellpressure,sigcellpressure,diffrpressure,sigdiffrpressure,thermalhist,pressurehist,compoundsource,nel,sg,sgHall,sgNumber,commonname,chemname,mineral,formula,calcformula,cellformula,Z,Zprime,acce_code,authors,title,journal,year,volume,issue,firstpage,lastpage,doi,method,radiation,wavelength,radType,radSymbol,Rall,Robs,Rref,wRall,wRobs,wRref,RFsqd,RI,gofall,gofobs,gofgt,gofref,duplicateof,optimal,status,flags,svnrevision,date,time,onhold
"1509296","3.607","","3.607","","3.607","","90","","90","","90","","46.929","","","","","","","","","","","","","2","P m -3 m","-P 4 2 3","221","","","","- Ag Dy -","- Ag Dy -","- Ag Dy -","1","0.0208333","","Arnold, G.; Olsen, C.; Nereson, N.","Magnetic structure of DyAg","Journal of Chemical Physics","1967","46","","4041","4043","10.1063/1.1840484","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528281","7.294","","8.5551","","5.6875","","90","","90","","90","","354.905","","","","","","","","","","","","","3","P b a m","-P 2 2ab","55","","","","- Dy Mn2 O5 -","- Dy Mn2 O5 -","- Dy4 Mn8 O20 -","4","0.5","","Abrahams, S.C.; Bernstein, J.L.","Crystal structure of paramagnetic Dy Mn2 O5","Journal of Chemical Physics","1967","46","","3776","3782","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"1528282","9.625","","6.965","","8.373","","103.28","","96.3","","106.72","","513.812","","","","","","","","","","","","","3","P -1","-P 1","2","","Zn (Mo O4)","","- Mo O4 Zn -","- Mo O4 Zn -","- Mo6 O24 Zn6 -","6","3","","Abrahams, S.C.","Crystal structure of the transition - metal molybdates and tungstates III. Diamagnetic alpha - Zn Mo O4","Journal of Chemical Physics","1967","46","","2052","2063","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528322","3.875","","3.875","","6.477","","90","","90","","90","","97.256","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","Ce C2","","- C2 Ce -","- C2 Ce -","- C4 Ce2 -","2","0.0625","","Atoji, M.","Magnetic and crystal structures of Ce C2. Pr C2, Nd C2, Tb C2 and Ho C2 at low temperatures","Journal of Chemical Physics","1967","46","","1891","1901","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528323","3.82","","3.82","","6.39","","90","","90","","90","","93.245","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","Nd C2","","- C2 Nd -","- C2 Nd -","- C4 Nd2 -","2","0.0625","","Atoji, M.","Magnetic and crystal structures of Ce C2, Pr C2, Nd C2, Tb C2 and Ho C2 at low temperatures","Journal of Chemical Physics","1967","46","","1891","1901","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528324","3.678","","3.678","","6.206","","90","","90","","90","","83.953","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","Tb C2","","- C2 Tb -","- C2 Tb -","- C4 Tb2 -","2","0.0625","","Atoji, M.","Magnetic and crystal structures of Ce C2, Pr C2, Nd C2, Tb C2 and Ho C2 at low temperatures","Journal of Chemical Physics","1967","46","","1891","1901","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1528325","3.633","","3.633","","6.132","","90","","90","","90","","80.934","","","","","","","","","","","","","2","I 4/m m m","-I 4 2","139","","Ho C2","","- C2 Ho -","- C2 Ho -","- C4 Ho2 -","2","0.0625","","Atoji, M.","Magnetic and crystal structures of Ce C2, Pr C2, Nd C2, Tb C2 and Ho C2 at low temperatures","Journal of Chemical Physics","1967","46","","1891","1901","","","","","","","","","","","","","","","","","","","","","","has coordinates","176429","2020-10-21","18:00:00",""
"1538347","4.9825","","4.9825","","13.433","","90","","90","","120","","288.801","","","","","","","","","","","","","2","R -3 c :H","-R 3 2""c","167","","","","- Ga2 O3 -","- Ga2 O3 -","- Ga12 O18 -","6","0.166667","","Marezio, M.; Remeika, J.P.","Bond lengths in the alpha-Ga2 O3 structure and the high-pressure phase of Ga2-X FeX O3","Journal of Chemical Physics","1967","46","","1862","1865","","","","","","","","","","","","","","","","","","","","","","has coordinates","211196","2020-10-21","18:00:00",""
"9012470","2.52","","2.52","","4.12","","90","","90","","120","","22.658","","","","","","","","","","","","","1","P 63/m m c","-P 6c 2c","194","","","Lonsdaleite","- C -","- C -","- C4 -","4","0.166667","","Bundy, F. P.; Kasper, J. S.","Hexagonal diamond-a new form of carbon","Journal of Chemical Physics","1967","46","","3437","3446","10.1063/1.1841236","","","","","","","","","","","","","","","","","","","","","has coordinates","291877","2024-05-16","06:53:47",""